(1s 2 2s 2 2p 1 3p 1 ) 1 P O 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1131.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 3p | 1.209678 | -1.12982000 |
| 2 | 2p | 2.184547 | .42369878 |
| 3 | 2p | 5.553430 | .04408224 |
| 4 | 4p | 6.516990 | .01586394 |
| 5 | 5p | 3.721373 | -.02934626 |
| 6 | 4p | .942534 | -.00360744 |
| ORB.ENERGY,a.u. | -.678230 | ||
| NORM | 1.000000 | < R > | 3.089799 | < R2 > | 10.872789 | < 1/R > | .425663 | < 1/R**2 > | .379383 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.642621 | .83473909 |
| 2 | 2p | 4.146866 | .16551205 |
| 3 | 2p | 9.497182 | .00696283 |
| 4 | 3p | 4.933369 | -.01508414 |
| 5 | 4p | 2.663534 | .03973819 |
| 6 | 4p | 13.407459 | -.00074432 |
| ORB.ENERGY,a.u. | -2.471700 | ||
| NORM | 1.000000 | < R > | .907472 | < R2 > | 1.008186 | < 1/R > | 1.413138 | < 1/R**2 > | 2.753994 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.281725 | .28698181 |
| 2 | 2s | 2.429478 | -.76067103 |
| 3 | 3s | 4.064909 | -.28588039 |
| 4 | 4s | 14.539068 | .00230321 |
| 5 | 5s | 8.254833 | -.01838719 |
| 6 | 5s | 2.729612 | .02880970 |
| 7 | 4s | 27.829069 | .00005256 |
| 8 | 4s | 2.067864 | -.00957599 |
| ORB.ENERGY,a.u. | -3.121400 | ||
| NORM | 1.000000 | < R > | .988477 | < R2 > | 1.152682 | < 1/R > | 1.453711 | < 1/R**2 > | 8.562471 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.520461 | .00346998 |
| 2 | 1s | 7.351852 | .73350450 |
| 3 | 1s | 10.726113 | .19846632 |
| 4 | 2s | 7.711967 | .09880021 |
| 5 | 3s | 8.757000 | -.02315347 |
| 6 | 4s | 14.680671 | .00542002 |
| 7 | 5s | 30.405425 | .00010407 |
| ORB.ENERGY,a.u. | -23.032000 |
| NORM | 1.000000 | < R > | .197859 | < R2 > | .052647 | < 1/R > | 7.658721 | < 1/R**2 > | 118.766371 |
Total Energy= -71.74252217 a.u.
Kinetic Energy= 71.77287132 a.u.
Potential Energy= -143.51539348 a.u.
Virial Ratio = -1.99957715